(2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propanamide

C19H29N3O3S — CID 9442944

IUPAC(2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESC[C@H](C(N)=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C19H29N3O3S/c1-15(19(20)23)21-11-13-22(14-12-21)26(24,25)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h7-10,15-16H,2-6,11-14H2,1H3,(H2,20,23)/t15-/m1/s1
InChIKeyICQWTKSLUYDZKF-OAHLLOKOSA-N
MW379.53 g/mol
LogP1.91
Rot. Bonds5

About (2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propanamide

(2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 9442944) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is (2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID9442944
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name(2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESC[C@H](C(N)=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C19H29N3O3S/c1-15(19(20)23)21-11-13-22(14-12-21)26(24,25)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h7-10,15-16H,2-6,11-14H2,1H3,(H2,20,23)/t15-/m1/s1
InChIKeyICQWTKSLUYDZKF-OAHLLOKOSA-N
XLogP1.91
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
CID 18196363
1,4-bis[(4-cyclohexylphenyl)sulfonyl]-1,4-diazepane
CID 3720140
1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 60568104
ethyl 4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carboxylate
CID 1262754
1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone
CID 119687160
(2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethylpropanamide
CID 8694803
3-amino-1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119269998
1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979767
4-(4-cyclohexylphenyl)sulfonylthiomorpholine
CID 171989503
(2R)-N-cyclohexyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 40692056
(2S)-3-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-2-methylpropanenitrile
CID 8694796
2-[1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 55387528

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of (2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propanamide (CID 9442944) is (2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for (2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propanamide is C[C@H](C(N)=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1.
What is the InChIKey of (2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is ICQWTKSLUYDZKF-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-15(19(20)23)21-11-13-22(14-12-21)26(24,25)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h7-10,15-16H,2-6,11-14H2,1H3,(H2,20,23)/t15-/m1/s1.
What are the key properties of (2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propanamide?
(2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 379.53 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 9442944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).